(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide

C23H23FN4O3S — CID 93305453

IUPAC(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESCOc1cccc(Nc2nc(C(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)cs2)c1
InChIInChI=1S/C23H23FN4O3S/c1-31-19-6-2-5-18(12-19)26-23-27-20(14-32-23)22(30)28-11-3-4-15(13-28)21(29)25-17-9-7-16(24)8-10-17/h2,5-10,12,14-15H,3-4,11,13H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
InChIKeyVTIFAVRUXQXNPL-HNNXBMFYSA-N
MW454.53 g/mol
LogP4.53
Rot. Bonds6

About (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide

(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (PubChem CID 93305453) has the molecular formula C23H23FN4O3S and a molecular weight of 454.53 g/mol. Its IUPAC name is (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
PubChem CID93305453
Molecular FormulaC23H23FN4O3S
Molecular Weight454.53 g/mol
Exact Mass454.15
IUPAC Name(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
SMILESCOc1cccc(Nc2nc(C(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)cs2)c1
InChIInChI=1S/C23H23FN4O3S/c1-31-19-6-2-5-18(12-19)26-23-27-20(14-32-23)22(30)28-11-3-4-15(13-28)21(29)25-17-9-7-16(24)8-10-17/h2,5-10,12,14-15H,3-4,11,13H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1
InChIKeyVTIFAVRUXQXNPL-HNNXBMFYSA-N
XLogP4.53
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 42813188
1-[2-(4-fluoroanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 42813146
(3R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 93306855
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488881
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 24534942
methyl 3-[[4-(3-methoxyphenyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 72901973
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
(3S)-1-[2-(3-methylanilino)-1,3-thiazole-4-carbonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-3-carboxamide
CID 93305267
(2R)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305294
(2S)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(2-methoxyethyl)piperidine-2-carboxamide
CID 93305293
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 25451663
(3S)-1-(4-fluorobenzoyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 94858021

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide (CID 93305453) is (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is COc1cccc(Nc2nc(C(=O)N3CCC[C@H](C(=O)Nc4ccc(F)cc4)C3)cs2)c1.
What is the InChIKey of (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
The InChIKey is VTIFAVRUXQXNPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23FN4O3S/c1-31-19-6-2-5-18(12-19)26-23-27-20(14-32-23)22(30)28-11-3-4-15(13-28)21(29)25-17-9-7-16(24)8-10-17/h2,5-10,12,14-15H,3-4,11,13H2,1H3,(H,25,29)(H,26,27)/t15-/m0/s1.
What are the key properties of (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide?
(3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-fluorophenyl)-1-[2-(3-methoxyanilino)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 93305453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).